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Burkholderia is an important genus encompassing a variety of species, including pathogenic strains as well as strains that promote plant growth. We have carried out a global strategy, which combined two complementary approaches. The first…
Protein-protein interactions (PPIs) are crucial in regulating numerous cellular functions, including signal transduction, transportation, and immune defense. As the accuracy of multi-chain protein complex structure prediction improves, the…
High-fidelity control of the thousands to millions of programmable qubits needed for utility-scale quantum computers presents a formidable challenge for control systems. In leading atomic systems, control is optical: UV-NIR beams must be…
We describe and test an implicit solvent all-atom potential for simulations of protein folding and aggregation. The potential is developed through studies of structural and thermodynamic properties of 17 peptides with diverse secondary…
Computationally predicting protein-protein interactions (PPIs) is challenging due to the lack of integrated, multimodal protein representations. DPEB is a curated collection of 22,043 human proteins that integrates four embedding types:…
Peptides, short chains of amino acid residues, play a vital role in numerous biological processes by interacting with other target molecules, offering substantial potential in drug discovery. In this work, we present PepFlow, the first…
The main object of this investigation was to shed light on the information on the level of Cu uptake by Pseudomonas aeruginosa that has been previously isolated from patients using Gram-negative E. aerogenes ans a Gram-positive Bacillus…
$\alpha$-glucosidase and prolylendopeptidase has altered expression and activity patterns in neurological disease, type 2diabetes respectively and several cancers. Here we screened a series 1-29 benzophenone semicarbazone derivatives for in…
In this study, we present a comprehensive investigation of the structural, optical, and electrical properties of Bifidobacterium longum subsp. longum 35624 (BB35) thin films, and demonstrate their application as a novel relative humidity…
Pro-inflammatory peptides (PIPs) play critical roles in immune signaling and inflammation but are difficult to identify experimentally due to costly and time-consuming assays. To address this challenge, we present KEMP-PIP, a hybrid machine…
Phytochemicals are still a valuable source to develop clinically important drugs in treating chronic and acute diseases. Inflammation is a response to an injurious stimulus of the body and novel therapeutic agents are needed to alleviate…
We introduce a novel methodology that leverages the strength of Physics-Informed Neural Networks (PINNs) to address the counterdiabatic (CD) protocol in the optimization of quantum circuits comprised of systems with $N_{Q}$ qubits. The…
Predicting the three-dimensional (3D) structure of a protein from its primary sequence of amino acids is known as the protein folding (PF) problem. Due to the central role of proteins' 3D structures in chemistry, biology and medicine…
Twelve single chambered, air-cathode Tubular Microbial Fuel Cells (TMFCs) have been filled up with fruit and vegetable residues. The anodes were realized by means of a carbon fiber brush, while the cathodes were realized through a…
In this research, we investigated the efficacy of Metformin, the most commonly administered type-2 diabetes drug for triple negative breast cancer (TNBC) treatment, due to its various anticancer properties. It is a plant-based bio-compound,…
In star formation regions, the complex organic molecules (COMs) that contain peptide bonds ($-$NH$-$C(=O)$-$) play a major role in the metabolic process because $-$NH$-$C(=O)$-$ is connected to amino acids (R-CHNH$_{2}$$-$COOH). Over the…
The peptide-protein docking problem is an important problem in structural biology that facilitates rational and efficient drug design. In this work, we explore modeling and solving this problem with the quantum-amenable quadratic…
Being the HIV-1 Protease (HIV-1-PR) an essential enzyme in the viral life cycle, its inhibition can control AIDS. The folding of single domain proteins, like each of the monomers forming the HIV-1-PR homodimer, is controlled by local…
An amphiphilic nature of the surfactant-like peptides is responsible for their propensity to aggregate at the nanoscale. These peptides can be readily used for a non-covalent functionalization of nanoparticles and macromolecules. This work…
In this study extremely halophilic and moderately thermophilic microorganisms from a hypersaline microbial mat were screened for their ability to produce antibacterial, antidiatom, antialgal and quorum sensing (QS) inhibitory compounds.…